Spectroscopy and Chemometrics/Machine-Learning News Weekly #6, 2022

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 5, 2022 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 5, 2022 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 5, 2022 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

This week’s NIR news Weekly is sponsored by Your-Company-Name-Here – NIR-spectrometers. Check out their product page … link

Get the Spectroscopy and Chemometrics News Weekly in real time on Twitter @ CalibModel and follow us.




Near-Infrared Spectroscopy (NIRS)

“Heat impact control in flash pasteurization by estimation of applied pasteurization units using near infrared spectroscopy” LINK

“Rapid and real-time detection of moisture in black tea during withering using micro-near-infrared spectroscopy” LINK

“Rapid Quality Discrimination of Grape Seed Oil Using an Extreme Machine Learning Approach with Near-Infrared (NIR) Spectroscopy” LINK

“Non-destructive prediction of the hotness of fresh pepper with a single scan using portable near infrared spectroscopy and a variable selection strategy” LINK

“Hyperspectral remote sensing for foliar nutrient detection in forestry: A near-infrared perspective” LINK

“High Near-Infrared Reflective Zn1-xAxWO4 Pigments with Various Hues Facilely Fabricated by Tuning Doped Transition Metal Ions (A = Co, Mn, and Fe)” LINK

“Identifying the main drivers of the seasonal decline of near-infrared reflectance of a temperate deciduous forest” LINK




Hyperspectral Imaging (HSI)

“Estimation of soil organic matter content using selected spectral subset of hyperspectral data” LINK

“Applied Sciences : Detection of Foreign Materials on Broiler Breast Meat Using a Fusion of Visible Near-Infrared and Short-Wave Infrared Hyperspectral Imaging” LINK

“Feasibility Study of Wood-leaf Separation Based on Hyperspectral LiDAR Technology in Indoor Circumstances” LINK

“Calibration of Short-Wave InfraRed (SWIR) hyperspectral imaging using Diffuse Reflectance infrared Fourier Transform spectroscopy (DRIFTS) to obtain continuous …” LINK




Chemometrics and Machine Learning

“Remote Sensing : Estimation of Salinity Content in Different Saline-Alkali Zones Based on Machine Learning Model Using FOD Pretreatment Method” LINK




Research on Spectroscopy

“Portable vibrational spectroscopic methods can discriminate between grass-fed and grain-fed beef” LINK

“Dataanalysis method for material optimization by forecasting longterm chemical stability” LINK




Process Control and NIR Sensors

“Gaussian Process Inspired Neural Networks for Spectral Unmixing Dataset Augmentation” LINK

“Copper (I) selenocyanate (CuSeCN): Eco-friendly solution-processable deposition of hole transport layer for organic solar cells” LINK




Environment NIR-Spectroscopy Application

“Soil erodibility prediction by Vis-NIR spectra and environmental covariates coupled with GIS, regression and PLSR in a watershed scale, Iran” LINK

“Remote Sensing : Retrieval of Phytoplankton Pigment Composition from Their In Vivo Absorption Spectra” LINK




Agriculture NIR-Spectroscopy Usage

“Remote Sensing : Using Sentinel-2 Images for Soil Organic Carbon Content Mapping in Croplands of Southwestern France. The Usefulness of Sentinel-1/2 Derived Moisture Maps and Mismatches between Sentinel Images and Sampling Dates” LINK

“Rapid Directed Molecular Evolution of Fluorescent Proteins in Mammalian Cells” LINK

“First identification of sudoite in Caribbean Ceramic-Age lapidary craftsmanship” LINK

“Elevated carbon dioxide stimulates nitrous oxide emission in agricultural soils: A global meta-analysis”LINK




Food & Feed Industry NIR Usage

“Photonics : Raman Spectroscopy Enables Non-Invasive Identification of Mycotoxins р. Fusarium of Winter Wheat Seeds” LINK




Pharma Industry NIR Usage

“The relationship between renal oxygen saturation and renal function in patients with and without diabetes following coronary artery bypass grafting surgery” LINK




Medicinal Spectroscopy

“Evaluation of Functional Capacity and Muscle Metabolism in Individuals with Peripheral Arterial Disease with and without Diabetes” | LINK




Other

“Global meta-analysis of terrestrial nitrous oxide emissions and associated functional genes under nitrogen addition” LINK

“CATCH the Wave of Coronary Atherosclerotic Plaque MRI” LINK

“Trading with the Momentum Transformer: An Intelligent and Interpretable Architecture. (arXiv:2112.08534v1 [cs.LG])” LINK

“The Biologically Relevant Coordination Chemistry of Iron and Nitric Oxide: Electronic Structure and Reactivity” LINK





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Spectroscopy and Chemometrics/Machine-Learning News Weekly #5, 2022

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 4, 2022 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 4, 2022 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 4, 2022 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

This week’s NIR news Weekly is sponsored by Your-Company-Name-Here – NIR-spectrometers. Check out their product page … link

Get the Spectroscopy and Chemometrics News Weekly in real time on Twitter @ CalibModel and follow us.




Near-Infrared Spectroscopy (NIRS)

“Use of Near-Infrared Spectroscopy combined with chemometrics for authentication and traceability of intact lemon fruits” LINK

“Application of NIR Spectroscopy and Multivariate Analysis for Non-destructive Evaluation of Apple Moisture Content during Ultrasonic Drying” LINK

“FT-NIR spectroscopy analysis for monitoring the microbial production of 2-phenylethanol using crude glycerol as carbon source” LINK

“Animals : Assessment of the Effectiveness of a Portable NIRS Instrument in Controlling the Mixer Wagon Tuning and Ration Management” LINK

“Scarcity Mindset Neuro Network Decoding With Reward: A Tree-Based Model and Functional Near-Infrared Spectroscopy Study” LINK

“Effectiveness of near-infrared spectroscopy as a non-invasive tool to discriminate spectral profiles of in vitro cultured oocytes from goats” LINK

“In-vivo quantification of lactate using Near Infrared reflectance spectroscopy” LINK

“Brain and renal oxygenation measured by NIRS related to patent ductus arteriosus in preterm infants: a prospective observational study” | LINK

“Rapid Quantitative Determination of Chemical Oxygen Demand in Different Water Systems Based on Near-Infrared Spectroscopy Combined with Binary Grey Wolf …” LINK

“Classification of fNIRS data with LDA and SVM: a proof-of-concept for application in infant studies” LINK

“Chemosensors : Detection of Monilia Contamination in Plum and Plum Juice with NIR Spectroscopy and Electronic Tongue” LINK




Infrared Spectroscopy (IR) and Near-Infrared Spectroscopy (NIR)

“Radiometric calibration accuracy and stability of GOES-16 ABI Infrared radiance” | LINK

“Monte Carlo Characterization of Short-Wave Infrared Optical Wavelengths for Biosensing Applications” LINK




Hyperspectral Imaging (HSI)

“Agriculture : Identification of Geographical Origin of Chinese Chestnuts Using Hyperspectral Imaging with 1D-CNN Algorithm” LINK

“Agronomy : Non-invasive Monitoring of Berry Ripening Using On-the-Go Hyperspectral Imaging in the Vineyard” LINK

“Prediction of Aqueous Glucose Concentration Using Hyperspectral Imaging” LINK




Spectral Imaging

“Agriculture : A Handheld Grassland Vegetation Monitoring System Based on Multispectral Imaging” LINK




Chemometrics and Machine Learning

“Multivariate analysis of food fraud: A review of NIR based instruments in tandem with chemometrics” LINK

“Recent Chemometric Opportunities in Criminalistics” LINK

“Non-Invasive Methods for Predicting the Quality of Processed Horticultural Food Products, with Emphasis on Dried Powders, Juices and Oils: A Review” LINK

“Hyperspectral inversion of nitrogen content in phyllostachys pubescens based on partial least squares regression model” LINK

“Applied Sciences : Identification of a Suitable Machine Learning Model for Detection of Asymptomatic Ganoderma boninense Infection in Oil Palm Seedlings Using Hyperspectral Data” LINK




Research on Spectroscopy

“A variable selection method based on mutual information and variance inflation factor” LINK




Environment NIR-Spectroscopy Application

“Remote Sensing : Reducing Scaling Effect on Downscaled Land Surface Temperature Maps in Heterogenous Urban Environments” LINK




Agriculture NIR-Spectroscopy Usage

“Biogenic and physicogenic aggregates: formation pathways, assessment techniques, and influence on soil properties” LINK

“Research on the transmission performance of multi-layer simulated mural surface by imaging spectrum” LINK

“Estimation of genetic parameters for carcass grading traits, image analysis traits, and monounsaturated fatty acids in Japanese Black cattle from Hyogo Prefecture” LINK




Pharma Industry NIR Usage

“CONDITION OF RENAL OXYGENATION IN PRETERM INFANTS WITH HEMODINAMICALLY SIGNIFICANT PATENT DUCTUS ARTERIOSUS” LINK

“Extent of lipid core plaque in patients with Achilles tendon xanthoma undergoing percutaneous coronary intervention for coronary artery disease” LINK




Other

“Textural and compositional effects of ilmenite on the spectra of high-titanium lunar basalts” LINK





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Spectroscopy and Chemometrics/Machine-Learning News Weekly #42, 2021

NIR Calibration-Model Services

Spectroscopy and Chemometrics/Machine-Learning News Weekly 41, 2021 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensor QA QC Testing Quality LINK

Spektroskopie und Chemometrie/Machine-Learning Neuigkeiten Wöchentlich 41, 2021 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT sensors Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria/Machine-Learning Weekly News 41, 2021 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

This week’s NIR news Weekly is sponsored by Your-Company-Name-Here – NIR-spectrometers. Check out their product page … link

Get the Spectroscopy and Chemometrics News Weekly in real time on Twitter @ CalibModel and follow us.




Near-Infrared Spectroscopy (NIRS)

“Development and Submission of Near Infrared Analytical Procedures Guidance for Industry” FDA LINK

“Identification prediction moisture content of Thai coconut sugar (Cocos nucifera L.) using FT-NIR spectroscopy” LINK

“Blood identification of NIR spectroscopy based on BP neural network combined with particle swarm optimization” LINK

“A preliminary study on the utilisation of near infrared spectroscopy to predict age and in vivo human metabolism” LINK

“Near-infrared guidance finalized for small molecule testing, with biologics to come” RAPS LINK

“Wavelength Selection Method for Near Infrared Spectroscopy Based on Iteratively Retains Informative Variables and Successive Projections Algorithm” LINK

“Near-infrared spectroscopy calibration strategies to predict multiple nutritional parameters of pasture species from different” LINK

” Comparison of metabolites and variety authentication of Amomum tsao-ko and Amomum paratsao-ko using GC-MS and NIR spectroscopy” LINK

“Hyperfine-Resolved Near-Infrared Spectra of H(2)(17)O” LINK

“Geographical Differentiation of Hom Mali Rice Cultivated in Different Regions of Thailand Using FTIR-ATR and NIR Spectroscopy” LINK

“Seasonal Snowpack Classification Based on Physical Properties Using Near-Infrared Proximal Hyperspectral Data” | LINK

“NIR-based sensing system for non-Invasive detection of Hemoglobin for point-of-care applications” LINK

“A promising inorganic YFeO3 pigments with high near-infrared reflectance and infrared emission” LINK

“Classification of Softwoods using Wood Extract Information and Near Infrared Spectroscopy.” LINK

“Rapid determination and origin identification of total polysaccharides contents in Schisandra chinensis by near-infrared spectroscopy” LINK

“Near-Infrared Spectroscopy Technology in Food” | LINK

“Postharvest ripeness assessment of ‘Hass’ avocado based on development of a new ripening index and Vis-NIR spectroscopy” LINK




Infrared Spectroscopy (IR) and Near-Infrared Spectroscopy (NIR)

“Utility of near‐infrared spectroscopy to detect the extent of lipid core plaque leading to periprocedural myocardial infarction” LINK

“Scaling up Sagebrush Chemistry with Near-Infrared Spectroscopy and Uas-Acquired Hyperspectral Imagery” LINK




Hyperspectral Imaging (HSI)

“Spatially Resolved Spectroscopic Characterization of Nanostructured Films by Hyperspectral Dark-Field Microscopy” LINK

“Visual attention-driven framework to incorporate spatial-spectral features for hyperspectral anomaly detection” LINK




Spectral Imaging

“Spectral Super-Resolution of Multispectral Images Using Spatial-Spectral Residual Attention Network” LINK




Chemometrics and Machine Learning

“Feasibility of a chromameter and chemometric techniques to discriminate pure and mixed organic and conventional red pepper powders: A pilot study” LINK

“Cyanobacteria cell prediction using interpretable deep learning model with observed, numerical, and sensing data assemblage” LINK

“Applied Sciences : A Novel Principal Component Analysis Integrating Long Short-Term Memory Network and Its Application in Productivity Prediction of Cutter Suction Dredgers” LINK

“Plants : Morpho-Physiological Classification of Italian Tomato Cultivars (Solanum lycopersicum L.) According to Drought Tolerance during Vegetative and Reproductive Growth” LINK

“Automatic food and beverage authentication and adulteration detection by classification hybrid fusion” LINK

“Remote Sensing : Improving Accuracy of Herbage Yield Predictions in Perennial Ryegrass with UAV-Based Structural and Spectral Data Fusion and Machine Learning” LINK

“Estimating Fat Components of Potato Chips Using Visible and Near-Infrared Spectroscopy and a Compositional Calibration Model” LINK

“Wavelengths selection based on genetic algorithm (GA) and successive projections algorithms (SPA) combine with PLS regression for determination the soluble …” LINK

“Comparison of PLS and SVM models for soil organic matter and particle size using vis-NIR spectral libraries” LINK

“Verified the rapid evaluation of the edible safety of wild porcini mushrooms, using deep learning and PLS‐DA” LINK




Optics for Spectroscopy

“Scientists Teach AI Cameras to See Depth in Photos Better” AI Camera Depth LINK




Facts

“Deep learning accelerates super-resolution microscopy by up to ten times” | DeepLearning microscopy LINK

“Statistical Learning to Operationalize a Domain Agnostic Data Quality Scoring. (arXiv:2108.08905v1 [cs.LG])” LINK




Research on Spectroscopy

“Foods : Instrumentation for Routine Analysis of Acrylamide in French Fries: Assessing Limitations for Adoption” LINK




Process Control and NIR Sensors

“NIR spectroscopy for monitoring of the critical manufacturing steps and quality attributes of paliperidone prolonged release tablets” LINK




Environment NIR-Spectroscopy Application

“Spatial Differentiation Analysis of Water Quality in Dianchi Lake Based on GF-5 NDVI Characteristic Optimization” LINK

“Remote Sensing : Using Sentinel-2 for Simplifying Soil Sampling and Mapping: Two Case Studies in Umbria, Italy” LINK

“Sensors : Ground-Based Hyperspectral Remote Sensing for Estimating Water Stress in Tomato Growth in Sandy Loam and Silty Loam Soils” LINK

“Potential of high-spectral resolution for field phenotyping in plant breeding: Application to maize under water stress” LINK




Agriculture NIR-Spectroscopy Usage

“Study the Genetic Diversity in Protein, Zinc and Iron in Germplasm Pools of Desi Type Chickpeas as Implicated in Quality Breeding” LINK

“Additives and soy detection in powder rice beverage by vibrational spectroscopy as an alternative method for quality and safety control” LINK

“Remote Sensing : Generating Up-to-Date Crop Maps Optimized for Sentinel-2 Imagery in Israel” LINK

“Fodder biomass, nutritive value, and grain yield of dual‐purpose Pearl Millet, Sorghum and Maize cultivars across different agro‐ecologies in Burkina Faso” LINK

“Agronomy : Effects of the Foliar Application of Potassium Fertilizer on the Grain Protein and Dough Quality of Wheat” LINK

“Remote Sensing : Sentinel-2 and Landsat-8 Multi-Temporal Series to Estimate Topsoil Properties on Croplands” LINK

“Sensors : Assessment of Grain Harvest Moisture Content Using Machine Learning on Smartphone Images for Optimal Harvest Timing” LINK

“Using UAV image data to monitor the effects of different nitrogen application rates on tea quality” LINK

“A single calibration of near-infrared spectroscopy to determine the quality of forage for multiple species” LINK




Forestry and Wood Industry NIR Usage

“Teakwood Chemistry and Natural Durability” LINK




Food & Feed Industry NIR Usage

“Foods : Temporal Sensory Perceptions of Sugar-Reduced 3D Printed Chocolates” LINK

“Foods : Rapid Nondestructive Simultaneous Detection for Physicochemical Properties of Different Types of Sheep Meat Cut Using Portable Vis/NIR Reflectance Spectroscopy System” LINK

“Foods : Real-Time Gauging of the Gelling Maturity of Duck Eggs Pickled in Strong Alkaline Solutions” LINK




Chemical Industry NIR Usage

“Polymers : Drug Amorphous Solid Dispersions Based on Poly(vinyl Alcohol): Evaluating the Effect of Poly(propylene Succinate) as Plasticizer” LINK




Pharma Industry NIR Usage

” Effects of acetazolamide and furosemide on ventilation and cerebral blood volume in normocapnic and hypercapnic COPD patients” LINK




Other

“Advances, challenges and perspectives of quantum chemical approaches in molecular spectroscopy of the condensed phase” LINK

“Calidad composicional y sensorial de la carne bovina y su determinación mediante infrarrojo cercano” LINK

“Bioinspired StimuliResponsive Hydrogel with Reversible Switching and Fluorescence Behavior Served as LightControlled Soft Actuators” LINK

“Neural Efficiency in Athletes: A Systematic Review” LINK

“Tailored Chiral Copper Selenide Nanochannels for Ultrasensitive Enantioselective Recognition and Detection” LINK

“In vivo diffuse reflectance spectroscopic analysis of fatty liver with inflammation in mice” LINK

“Métodos de análise da composição química e valor nutricional de alimentos para ruminantes” LINK

“Dissociation between exercise intensity thresholds: mechanistic insights from supine exercise” LINK





Digitization in the field of NIR spectroscopy (smart sensors)

Digitalization is advancing, also in NIR spectroscopy, which enables trainable miniature smart sensors e.g. for analyses in the food&feed, chemical and pharmaceutical sectors.

The calibration is the core of a NIR spectroscopy sensor, it enables the numerous applications and should therefore not be the weakest link in the measurement chain.

The development of calibrations that turn NIR spectrometers into smart sensors is done manually by experts (NIR specialist, chemometrician, data scientist) with so-called chemometrics software.

This is very time-consuming (time to market) and the result is person-dependent and thus suboptimal, because each expert has his own preferred way of proceeding. In addition, the calibrations have to be maintained, as new data has been collected in the meantime, which can be used to extend and improve the calibrations.

This is where our automated service comes in, combining the knowledge and good practices of NIR spectroscopy and chemometrics collected in one software and using machine learning to generate optimal calibrations.

Based on this, we have developed a complete technology platform (Time to Market) that covers the entire process from sending NIR + Lab data, to NIR Calibration as a Service, from online purchase of calibrations, to NIR Predictor software that directly evaluates newly measured NIR data locally and generates result reports.

Besides the free desktop version with user interface, the NIR Predictor can also be integrated (OEM). This can be integrated in parallel as a complement to your current Predictor, allowing the user to choose how they want to calibrate. And give them the advantage in NIR feasibility studies and NIR spectrometer evaluations to quickly provide the customer with a solid and accurate calibration that will make their NIR system deliver better results.

Advantages for your NIR users (internal or external)
  • no initial costs (no chemometrics software license required),
  • calculable operating costs (fixed amount instead of time and hourly rate) (calibration development, calibration maintenance)
  • easy to use (no chemometrics and software training),
  • quicker to use (no calibration development work) and
  • better calibrations (precision, accuracy, robustness, …)


Our chargeable service is based on the calibration development and the annual calibration use. Calibration development and calibration use can also be carried out separately (manufacturer / user).

For you as a spectrometer manufacturer, this means that you can deliver your system pre-calibrated for certain applications without incurring software license costs. And without your application specialists having to provide additional calibration services.

The unique advantages of our calibration service together with the free NIR Predictor are:
  • no software license costs (chemometrics software, predictor software, OEM integration)
  • no chemometrics know-how necessary
  • no time needed to develop optimal NIR calibrations.


If interested in using/evaluating the service :

About CalibrationModel.com : Time and knowledge intensive creation and optimization of chemometric evaluation methods for spectrometers as a service to enable more accurate analysis and measurement results.



see also

Paradigm Change in NIR

Five Mistakes to avoid on Digitalization in NIR

NIR – Total cost of ownership (TCO)

OEM / White Label Software

White Paper



Spectroscopy and Chemometrics News Weekly #34, 2020

NIR Calibration-Model Services

Got a NIRspectrometer and need help for application development? chemometrics multivariate prediction NIRS LINK

Spectroscopy and Chemometrics News Weekly 33, 2020 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 33, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 33, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

This week’s NIR news Weekly is sponsored by Your-Company-Name-Here – NIR-spectrometers. Check out their product page … link

Get the Chemometrics and Spectroscopy News in real time on Twitter @ CalibModel and follow us.




Near-Infrared Spectroscopy (NIRS)

“Using visible near-infrared reflectance spectroscopy (VNIRS) of lake sediments to estimate historical changes in cyanobacterial production: potential and challenges” LINK

“Inversion of soil heavy metals in Guanzhong area of Shaanxi based on VIS-NIR spectroscopy” LINK




Infrared Spectroscopy (IR) and Near-Infrared Spectroscopy (NIR)

“In-field measurement of starch content of cassava tubers using handheld vis-near infrared spectroscopy implemented for breeding programmes” LINK

“Near-infrared reflectance spectroscopy-based fast versicolorin A detection in maize for early aflatoxin warning and safety sorting.” LINK

“Egg freshness prediction using a comprehensive analysis based on visible near infrared spectroscopy” LINK

“Infrared spectroscopy approaches support soil organic carbon estimations to evaluate land degradation” LINK

“Signal-to-Noise Ratio Contributors and Effects in Proximal Near-Infrared Spectral Reflectance Measurement on Plant Leaves” LINK

“Non-destructive analysis of Japanese table grape qualities using near-infrared spectroscopy” LINK

“Classifying Cannabis Sativa Flowers, Stems and Leaves using Statistical Machine Learning with Near-Infrared Hyperspectral Reflectance Imaging” LINK

“Near infrared spectroscopy to evaluate change in color and chemical composition in heat-treated bamboo” LINK

“Mid-Infrared Reflectance Spectroscopy of Oil Sands Minerals Based on Tunable Quantum Cascade Lasers” LINK

“Accurate Prediction of Sensory Attributes of Cheese Using Near-Infrared Spectroscopy Based on Artificial Neural Network.” LINK

“Near-Infrared Reflectance Spectroscopy-based Fast Versicolorin A Detection in Maize for Early Aflatoxin Warning and Safety Sorting” LINK

“Near-Infrared Spectroscopy in Bio-Applications” LINK




Raman Spectroscopy

“Sensors, Vol. 20, Pages 3723: High-Throughput Phenotyping Approach for Screening Major Carotenoids of Tomato by Handheld Raman Spectroscopy Using Chemometric Methods” LINK

“Chemical Bleaching to Minimize Fluorescence Interference in Raman Spectroscopic Measurements for Sulfonated Polystyrene Solutions” LINK




Hyperspectral Imaging (HSI)

“Comparison between Hyperspectral Imaging and Chemical Analysis of Polyphenol Oxidase Activity on Fresh-Cut Apple Slices” LINK




Chemometrics and Machine Learning

“Food Quality Assessed by Chemometrics” LINK

“Foods, Vol. 9, Pages 880: HPLC-Based Chemometric Analysis for Coffee Adulteration” LINK

“Foods, Vol. 9, Pages 876: Non-Targeted Detection of Adulterants in Almond Powder Using Spectroscopic Techniques Combined with Chemometrics” LINK

“Model-Based Process Optimization for the Production of Macrolactin D by Paenibacillus polymyxa” LINK

“Rapid detection model of Bacillus subtilis in solid-state fermentation of rapeseed meal” LINK

“Machine Learning Modeling of Wine Sensory Profiles and Color of Vertical Vintages of Pinot Noir Based on Chemical Fingerprinting, Weather and Management Data.” LINK

“Comparison of Individual and Integrated Inline Raman, Near-Infrared, and Mid-Infrared Spectroscopic Models to Predict the Viscosity of Micellar Liquids” LINK

“Identification and Quantification of Adulterants in Coffee (Coffea arabica L.) Using FT-MIR Spectroscopy Coupled with Chemometrics” Foods LINK




Equipment for Spectroscopy

“Rapid and Robust OnScene Detection of Cocaine in Street Samples using a Handheld Near Infrared Spectrometer and Machine Learning Algorithms” LINK

“Micro-Electro-Mechanical System Fourier Transform Infrared (MEMS FT-IR) Spectrometer Under Modulated–Pulsed Light Source Excitation” LINK




Agriculture NIR-Spectroscopy Usage

“RobHortic: A Field Robot to Detect Pests and Diseases in Horticultural Crops by Proximal Sensing” Agriculture LINK

“… Agriculture Technology and Farm Data: A Case Study on Swedish Grain Farmers and On-Combine Near-Infrared Spectroscopy for Quality Measurement” LINK




Chemical Industry NIR Usage

“Benzothiadiazole Bridged EDOT Based Donor-Acceptor Polymers With Tunable Optical, Electrochemical, Morphological and Electrochromic Performance: Effects of …” LINK




Pharma Industry NIR Usage

“Validation and comparison of different near-infrared quantitative methods to rapid determination of the total content of anthraquinones in Rhubarb based on accuracy …” LINK

“Feature Selection and Rapid Characterization of Bloodstains on Different Substrates” LINK




Other

“Application of Optical Technologies in the US Poultry Slaughter Facilities for the Detection of Poultry Carcass Condemnation.” LINK





Spectroscopy and Chemometrics News Weekly #25, 2020

NIR Calibration-Model Services

Using cost saving NIR-Spectroscopy Analysis? You can Save even more Costs and Time! How? Read here | VIS NIR NIRS Spectroscopy LabManager Labs QualityControl CostSaving foodindustry foodproduct Spectrometer Sensor Analytics LINK

Machine Learning for NIR Spectroscopy as a Service, a Game Changer for Productivity and Accuracy/Precision! Use the free NIR-Predcitor software to combine NIRS + Lab data and send your Calibration Request. LabManager Analysis MachineLearning LINK

Spectroscopy and Chemometrics News Weekly 24, 2020 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 24, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 24, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

This week’s NIR news Weekly is sponsored by Your-Company-Name-Here – NIR-spectrometers. Check out their product page … link

Get the Chemometrics and Spectroscopy News in real time on Twitter @ CalibModel and follow us.




Near-Infrared Spectroscopy (NIRS)

“Near-Infrared (NIR) Spectroscopy to Differentiate Longissimus thoracis et lumborum (LTL) Muscles of Game Species” LINK

“Estimation of Harumanis (Mangifera indica L.) Sweetness using Near-Infrared (NIR) Spectroscopy” LINK

“Handheld Near-Infrared Spectrometers: Reality and Empty Promises” miniaturization NIRS FTNIR MEMS MOEMS LVFs LINK

BESTCentreLTU research hot off the press: | In collaboration with Assoc. Prof. Kellie Tuck from , we’ve developed new near-infrared emissive electrochemiluminophores for sensing in NIR transparent biological media. LINK

“Near-Infrared Emitter for Bioanalytical Applications” NIR ECL electrochemiluminescence LINK

“Fault detection with moving window PCA using NIRS spectra for the monitoring of anaerobic digestion process” LINK

“New applications of visnir spectroscopy for the prediction of soil properties” LINK

“Simultaneous determination of quality parameters in yerba mate (Ilex paraguariensis) samples by application of near-infrared (NIR) spectroscopy and partial least …” LINK

“Control of ascorbic acid in fortified powdered soft drinks using near-infrared spectroscopy (NIRS) and multivariate analysis.” LINK




Infrared Spectroscopy (IR) and Near-Infrared Spectroscopy (NIR)

“Non-Invasive Blood Glucose Monitoring using Near-Infrared Spectroscopy based on Internet of Things using Machine Learning” LINK

“Investigating the Quality of Antimalarial Generic Medicines Using Portable Near-Infrared Spectroscopy” LINK

“Rapid quantitative detection of mineral oil contamination in vegetable oil by near-infrared spectroscopy” LINK

“THE DETERMINATION OF FATTY ACIDS IN CHEESES OF VARIABLE COMPOSITION (COW, EWE’S, AND GOAT) BY MEANS OF NEAR INFRARED SPECTROSCOPY” LINK

“Detection of melamine and sucrose as adulterants in milk powder using near-infrared spectroscopy with DD-SIMCA as one-class classifier and MCR-ALS as a means to provide pure profiles of milk and of both adulterants with forensic evidence” LINK

“Protein, weight, and oil prediction by singleseed nearinfrared spectroscopy for selection of seed quality and yield traits in pea (Pisum sativum)” LINK

“Modeling bending strength of oil-heat-treated wood by near-infrared spectroscopy” LINK

“ripening stages monitoring of Lamuyo pepper using a new‐generation near‐infrared spectroscopy sensor” LINK

“Should the Past Define the Future of Interpretation of Infrared and Raman Spectra?” LINK

“Performance Improvement of Near-Infrared Spectroscopy-Based Brain-Computer Interface Using Regularized Linear Discriminant Analysis Ensemble Classifier Based on Bootstrap Aggregating.” LINK

“Continuously measurement of the dry matter content using near-infrared spectroscopy” LINK

“Rapid identification of Lilium species and polysaccharide contents based on near infrared spectroscopy and weighted partial least square method.” LINK

“A Rapid and Nondestructive Approach for the Classification of Different-Age Citri Reticulatae Pericarpium Using Portable Near Infrared Spectroscopy.” LINK




Hyperspectral Imaging (HSI)

“Rapid detection of quality index of postharvest fresh tea leaves using hyperspectral imaging” LINK

“Non-Destructive Detection of Tea Leaf Chlorophyll Content Using Hyperspectral Reflectance and Machine Learning Algorithms” LINK

“A deep learning based regression method on hyperspectral data for rapid prediction of cadmium residue in lettuce leaves” LINK

“Deep learning applied to hyperspectral endoscopy for online spectral classification” DOI:10.1038/s41598-020-60574-6 LINK

“Detection of fish fillet substitution and mislabeling using multimode hyperspectral imaging techniques” LINK




Chemometrics and Machine Learning

“Molecules, Vol. 25, Pages 1453: Characterization, Quantification and Quality Assessment of Avocado (Persea americana Mill.) Oils” LINK

“Comprehensive Chemometrics – Chemical and Biochemical Data Analysis Reference Work • 2nd Edition • 2020” | books Chemometrics DataAnalysis Chemical Biochemical LINK

“Identification of invisible biological traces in forensic evidences by hyperspectral NIR imaging combined with chemometrics” LINK




Research on Spectroscopy

“Automatisierte und digitale Dokumentation der Applikation organischer Düngemittel” LINK

“Plenary Lecture Methods and Tools for Sensors Information Processing” LINK




Equipment for Spectroscopy

Using NIR scanner to assess grass in sward for composition prior to baling and wrapping for EU LIFE Farm4More project. Thanks to Dinamica Generale for providing the equipment LINK

“Determination of soluble solids content in Prunus avium by Vis/NIR equipment using linear and non-linear regression methods” LINK

“Characterization of Deep Green Infection in Tobacco Leaves Using a Hand-Held Digital Light Projection Based Near-Infrared Spectrometer and an Extreme Learning …” LINK




Agriculture NIR-Spectroscopy Usage

“Hyperspectral imaging using multivariate analysis for simulation and prediction of agricultural crops in Ningxia, China” LINK

“Placing Soil Information in the Hands of Farmers” LINK

“Robustness of visible/near and midinfrared spectroscopic models to changes in the quantity and quality of crop residues in soil” LINK

“Complex Food Recognition using Hyper-Spectral Imagery” LINK




Horticulture NIR-Spectroscopy Applications

” The Effect of Spent Mushroom Substrate and Cow Slurry on Sugar Content and Digestibility of Alfalfa Grass Mixtures” LINK




Laboratory and NIR-Spectroscopy

“The influence analysis of reflectance anisotropy of canopy on the prediction accuracy of Cu stress based on laboratory multi-directional measurement” LINK




Other

LINK



Spectroscopy and Chemometrics News Weekly #20, 2020

This week’s NIR news Weekly is sponsored by Your-Company-Name-Here – NIR-spectrometers. Check out their product page … link

Get the Chemometrics and Spectroscopy News in real time on Twitter @ CalibModel and follow us.


NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 19, 2020 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 19, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 19, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK




Near-Infrared Spectroscopy (NIRS)

” RAPID EVALUATION OF DRY WHITE KIDNEY BEANS COOKING CHARACTERISTICS BY NEAR-INFRARED (NIR) SPECTROSCOPY” LINK

“Potential of Vis-NIR spectroscopy for detection of chilling injury in kiwifruit” LINK

“The application of NIR spectroscopy in moisture determining of vegetable seeds” LINK

“Detection and quantification of active pharmaceutical ingredients as adulterants in Garcinia cambogia slimming preparations using NIR spectroscopy combined with …” LINK

“Comparison of the Potential Abilities of Three Spectroscopy Methods: Near-Infrared, Mid-Infrared, and Molecular Fluorescence, to Predict Carotenoid, Vitamin and Fatty Acid Contents in Cow Milk ” LINK




Infrared Spectroscopy (IR) and Near-Infrared Spectroscopy (NIR)

” Machine Learning Classification of Articular Cartilage Integrity Using Near Infrared Spectroscopy” LINK

“A Rapid and Nondestructive Approach for the Classification of Different-Age Citri Reticulatae Pericarpium Using Portable Near Infrared Spectroscopy” LINK

“Non-destructive assessment of moisture content and modulus of rupture of sawn timber Hevea wood using near infrared spectroscopy technique” LINK

“Accurate prediction of glucose concentration and identification of major contributing features from hardly distinguishable near-infrared spectroscopy” LINK

“Determination of in situ ruminal degradation of phytate phosphorus from single and compound feeds in dairy cows using chemical analysis and near-infrared spectroscopy” LINK

” RAPID, NONDESTRUCTIVE AND SIMULTANEOUS PREDICTIONS OF SOIL CONTENT IN WULING MOUNTAIN AREA USING NEAR INFRARED …” LINK

” Multiblock PLS-DA on fecal and plasma visible-near-infrared spectra for discriminating young bulls according to their efficiency. Preliminary results” LINK

“Developing deep learning based regression approaches for determination of chemical compositions in dry black goji berries (Lycium ruthenicum Murr.) using near-infrared hyperspectral …” LINK

“Near-infrared wavelength-selection method based on joint mutual information and weighted bootstrap sampling” LINK

“Rapid and simultaneous analysis of direct and indirect bilirubin indicators in serum through reagent-free visible-near-infrared spectroscopy combined with …” LINK

“Sensors, Vol. 20, Pages 1472: Fusion of Mid-Wave Infrared and Long-Wave Infrared Reflectance Spectra for Quantitative Analysis of Minerals” LINK

“Near-infrared spectroscopy as a quantitative spasticity assessment tool: A systematic review.” LINK




Raman Spectroscopy

“Surfaceenhanced Raman spectroscopy for onsite analysis: A review of recent developments” LINK




Hyperspectral Imaging (HSI)

“Comparative Study on Hyperspectral and Satellite Image for the Estimation of Chlorophyll a Concentration on Coastal Areas” LINK

“Performance of Fluorescence and Diffuse Reflectance Hyperspectral Imaging for Characterization of Lutefisk: A Traditional Norwegian Fish Dish” LINK

“Dual-camera design for hyperspectral and panchromatic imaging, using a wedge shaped liquid crystal as a spectral multiplexer” LINK




Spectral Imaging

“Functional Imaging of the Ocular Fundus Using an 8-Band Retinal Multispectral Imaging System” LINK

“Multispectral imaging for predicting the water status in mushroom during hotair dehydration” LINK




Chemometrics and Machine Learning

“Development of spectral signatures and classification using hyperspectral face recognition” LINK

The Google Cloud Developer’s Cheat Sheet. BigData Analytics DataScience AI MachineLearning CyberSecurity IoT IIoT Python RStats TensorFlow Java JavaScript ReactJS CloudComputing Serverless Linux Programming Coding 100DaysofCode LINK

“Vibrational spectroscopy and chemometrics for quantifying key bioactive components of various plum cultivars grown in New Zealand” LINK

“ATR-MIR spectroscopy to predict commercial milk major components: A comparison between a handheld and a benchtop instrument” LINK

“Chemometrics as a Green Analytical Tool” LINK




Facts

“Systematic review of deep learning techniques in plant disease detection” LINK

“Machine learning estimators for the quantity and quality of grass swards used for silage production using drone-based imaging spectrometry and photogrammetry” LINK




Environment NIR-Spectroscopy Application

“Remote Sensing, Vol. 12, Pages 931: Optical Water Type Guided Approach to Estimate Optical Water Quality Parameters” LINK

“Estimation of total nitrogen and organic carbon contents in mine soils with NIR reflectance spectroscopy and various chemometric methods” LINK

“Improved mapping of soil heavy metals using a Vis-NIR spectroscopy index in an agricultural area of eastern China” LINK




Agriculture NIR-Spectroscopy Usage

“Remote Sensing, Vol. 12, Pages 940: Editorial for the Special Issue Estimation of Crop Phenotyping Traits using Unmanned Ground Vehicle and Unmanned Aerial Vehicle Imagery”” LINK

“Predicting grain protein content of field-grown winter wheat with satellite images and partial least square algorithm.” LINK

“The development of models to predict the nutritional value of feedstuffs and feed mixture using NIRS” LINK

“Permafrost soil complexity evaluated by laboratory imaging Vis‐NIR spectroscopy” LINK

“Agriculture, Vol. 10, Pages 164: Chemical Variation and Implications on Repellency Activity of Tephrosia vogelii (Hook f.) Essential Oils Against Sitophilus zeamais Motschulsky” LINK

“The Use of Multi-temporal Spectral Information to Improve the Classification of Agricultural Crops in Landscapes” LINK




Horticulture NIR-Spectroscopy Applications

“Recent advances in imaging techniques for bruise detection in fruits and vegetables” LINK




Food & Feed Industry NIR Usage

“Beef Nutritional Quality Testing and Food Packaging” LINK

“Foods, Vol. 9, Pages 619: Evaluation of the Physicochemical and Sensory Characteristics of Different Fig Cultivars for the Fresh Fruit Market” LINK




Laboratory and NIR-Spectroscopy

“Laboratory-Scale Preparation and Characterization of Dried Extract of Muirapuama (Ptychopetalumolacoides Benth) by Green Analytical Techniques” LINK




Other

“Sony releases industrial SWIR sensors with 5m pixels” LINK





NIR Calibration Service explained

Our Service is different

  • We build the optimal quantitative prediction models for your NIR analytical needs (No need for mathematical/statistical model building software usage at your site).
  • The NIR-Predictor software and the calibration models are at your site. No internet connection needed to our service. You can do unlimited predictions, that allows fast measurement cycles with no extra cost (Not payed per prediction).
  • You own your NIR + Lab data and the calibrations. You can have access to the detailed Calibration Report with all the settings and statistics (No Black-Box Models).

Get NIR Calibrations

Get NIR Calibrations - Workflow
Your 4 steps to the applicable NIR calibration:
  1. Download free NIR-Predictor here
  2. Combine your NIR-Spectra with Lab-Reference values, see Video for 2. and 3. (manual)
  3. Create a Calibration Request and sent it to info@CalibrationModel.com (CM)
  4. After processing you will get a link to the Web Shop to download the calibrations.



Use NIR Calibrations

Use NIR Calibrations Workflow
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In other words

Calibration Model simplifies the process of training machine learning models for NIRS data while providing an opportunity to trying different algorithms and applied near-infrared spectroscopy (NIRS) knowledge. It’s more than an AutoML platform, it’s a full service where you can download the optimal model and its describing Calibration Report that provide insights into the data preparation, feature engineering, model training, and hyperparameter tuning.

Start Calibrate

Cost comparison / Price comparison of Chemometrics / Machine Learning / Data Science for NIR-Spectroscopy

Reduce Operating Costs and Total Cost of Ownership (TCO) of NIR-Spectroscopy (NIRS) in the Digitalization Age.
NIR-Spectroscopy (NIRS) - Reduce cost, Increase revenue
Reduce Cost by automated NIR development.
Increase Revenue by higher accuracy NIR results.


CalibrationModel.com (CM) versus Others

Costs are not everything, there are other important factors listed in the table.

CM fix € pricing (approx.) Others € Price Range (approx.)
Software
included
Chemometric Package not‑needed
€3500 – €6500 per user
Chemometric Predictor
free‑software
€1500 – €2500 per NIR device
Knowledge
included
Chemometric Training not‑needed
€1500 – €2500 per user
Chemometrician* Salary not‑needed
1 years Salary / year
(+ risk of Employee Turnover)
Computation
included
Powerful Computer (many Processors, lot of RAM for big data) not‑needed
€1500 – €4500 per computer
Development and Usage
Development of a Calibration
€128
€80 – €150 / hour
of Chemometrician* using a Chemometric Software (click and wait) and applying it’s knowledge
Usage of a Calibration
€60 / year
Total €178 in first year
€60 in second year
initial (min €8000 , max €15500)
+ 2 * (2 – 4)(hour to cost same! as CM service) * (€80 – €150) Chemometrician* work
no initial cost
very high initial costs
no personnel cost
high personnel* costs
constant CM services
risk of Employee Turnover
global knowledge
risk of only use personal knowledge
easy to calculate fix cost on demand
difficult to calculate variable cost on demand plus Chemometrician* Recruitment needed
Results :
calibration prediction performance
always reproducible highly optimized
only as good as your Chemometrician* daily condition
better prediction performance, due to best-of 10’000x calibrations
small size of experiments, non-optimal calibrations

See also: pricing

Start Calibrate

*) Personnel / Chemometrician / Data Scientist / Data Analyst / Machine Learning Engineer : We are not against it, we are one of them a long time ago, but the way the work is done is changing (see below).

2019 Digitalization and the Future of Work: Macroeconomic Consequences
2019 The Digitalization of the American Workforce
2017 Digitalization and the American workforce , full-report